SCHEMBL20945006

SCHEMBL20945006

COc1cccc2c(=O)n(-c3ccc(OC(F)(F)F)cc3)nc(OS(=O)(=O)C(F)(F)F)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
ADORA1 P30542 1/20 0.41
GPR139 Q6DWJ6 3/20 0.40
KDM4E B2RXH2 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
NPBWR1 P48145 2/20 0.36
MCHR1 Q99705 2/20 0.36
ABCB1 P08183 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 4/20 0.36
TDP1 Q9NUW8 1/20 0.35
APLNR P35414 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20945143 0.92 ALDH1A1 (0.46) ALDH1A1ADORA1GPR139KDM4EPDE4A
SCHEMBL20962574 0.87 ADORA1 (0.41) ALDH1A1ADORA1KDM4ENPBWR1MCHR1
SCHEMBL20945272 0.86 ABCB1 (0.41) ALDH1A1ADORA1ABCB1ADORA3
SCHEMBL20945142 0.83 ABCB1 (0.42) ALDH1A1ADORA1KDM4ENPBWR1MCHR1
SCHEMBL20962579 0.81 ADORA1 (0.42) ALDH1A1ADORA1NPBWR1MCHR1ABCB1
SCHEMBL20962588 0.81 ADORA1 (0.41) ALDH1A1ADORA1GPR139KDM4ENPBWR1
SCHEMBL20962570 0.81 ADORA1 (0.41) ALDH1A1ADORA1GPR139NPBWR1MCHR1
SCHEMBL30880212 0.79 KDM4E (0.42) ALDH1A1ADORA1KDM4EMEN1MAPT
SCHEMBL22721753 0.79 KDM4E (0.42) ALDH1A1ADORA1KDM4EMEN1MAPT
SCHEMBL20944913 0.73 ADORA1 (0.38) ALDH1A1ADORA1NPBWR1MCHR1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415345-B Pyridazinone-based broad-spectrum anti-influenza inhibitors 豪夫迈·罗氏有限公司 2022-01-11 CN disclosed
EP-3478671-B1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN LA ROCHE (CH) 2020-05-13 EP disclosed
EP-3478671-B1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN LA ROCHE (CH) 2020-05-13 EP disclosed
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-03-24 US disclosed
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-03-24 US disclosed
US-20190127349-A1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-05-02 US disclosed
US-20190127349-A1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-05-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190127349-A1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS ABCG2, PIR, PRNP ALDH1A1 1626/4885ADORA1 551/4885GPR139 4789/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP ALDH1A1 1626/4885ADORA1 551/4885GPR139 4789/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.